Ibuprofen

Description

Ibuprofen · CAS 58560-75-1 · C13H18O2. UNII WK2XYI10QM. Boiling Point: 157; Melting Point: 75-77.5 ºC; Melting Point: 75-77 °C.

Identification

CAS Registry Number	58560-75-1
PubChem CID	3672
Molecular formula	C13H18O2
IUPAC name	2-[4-(2-methylpropyl)phenyl]propanoic acid
UNII (FDA)	WK2XYI10QM

Computed Descriptors

Molecular Weight	206.28
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Topological Polar Surface Area	37.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	157
Melting Point	75-77.5 ºC
Melting Point	75-77 °C
Melting Point	76 °C
Solubility	21
Solubility	In water, 21 mg/l @ 25 °C
Solubility	0.021 mg/mL at 25 °C
Vapor Pressure	4.74X10-5 mm Hg @ 25 °C
LogP	3.97
LogP	log Kow= 3.97

Physical description & handling notes

• Other Solid
• Solid
• Colorless, crystalline stable solid
• Characteristic odor
• Readily sol in most org solvents
• VERY SOLUBLE IN ALCOHOL

GHS Hazard Classification

Reported hazard statements	H302 (100%), H319 (72%), H335 (70.8%), H361 (17.8%), H360, H362, H371, H373

Documented Uses

• THERAP CAT: Anti-inflammatory; analgesic; antipyretic
• THERAP CAT (VET): Anti-inflammatory
• Ingredient in over-the-counter pain relievers
• Indicated for both acute and long-term management of rheumatoid arthritis, osteoarthritis, and psoriatic arthritis.
• For more Uses (Complete) data for IBUPROFEN (7 total), please visit the HSDB record page.
• Prepn: J.S. Nicholson, S.S. Adams, GB971700; eidem US 3385886 (1964, 1968 both to Boots Pure Drug); T. Shiori, N. Kawai, J. Org. Chem. 43, 2936 (1978); J.T. Pinhey, B.A. Rowe, Tetrahedron Letters 21, 965 (1980).

Synonyms

58560-75-1; IBUPROFEN, (+-)-; RefChem:6648; ibuprofen; 15687-27-1; 2-(4-Isobutylphenyl)propanoic acid; Brufen; Motrin; Advil; 2-[4-(2-methylpropyl)phenyl]propanoic acid; Medipren; Nurofen; Liptan; Nuprin; Anflagen; Buburone

Frequently Asked Questions

What are the CAS number and molecular formula of Ibuprofen?

CAS 58560-75-1; molecular formula C13H18O2; molecular weight — g/mol.

What other names is Ibuprofen known by?

58560-75-1, IBUPROFEN, (+-)-, RefChem:6648, ibuprofen, 15687-27-1, 2-(4-Isobutylphenyl)propanoic acid.

Is Ibuprofen classified as hazardous?

Hazard statements reported: H302, H319, H335, H361, H360.

What are the key physical properties of Ibuprofen?

Boiling Point: 157; Melting Point: 75-77.5 ºC; Melting Point: 75-77 °C; Melting Point: 76 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.